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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on U(HO2)2 by Materials Project

UO2(OH)2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two UO2(OH)2 sheets oriented in the (0, 0, 1) direction. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of U–O bond distances ranging from 1.98–2.28 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent U6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one U6+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(HO2)2 by Materials Project

UO2(OH)2 crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of four pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules and eight water molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(HO2)2 by Materials Project

UO2(OH)2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules and eight water molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(HO2)2 by Materials Project

UO2(OH)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of U–O bond distances ranging from 2.00–2.32 Å. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(HO2)2 by Materials Project

UO2(OH)2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one molecular hydrogen;dihydrate molecule and one UO2 sheet oriented in the (0, 0, 1) direction. In the UO2 sheet, U6+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of U–O bond distances ranging from 2.05–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(HO2)2 by Materials Project

UO2(OH)2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two UO2(OH)2 sheets oriented in the (0, 0, 1) direction. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of U–O bond distances ranging from 1.83–2.34 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent U6+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.

36 MATERIALS SCIENCE↗